SCHEMBL6032011

SCHEMBL6032011

CN1CCC(c2ccccc2)(c2ncc[nH]2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.53
DRD4 P21917 1/20 0.53
KCNH2 Q12809 3/20 0.41
CYP2D6 P10635 2/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
OPRD1 P41143 4/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4916048 0.80 OPRM1 (0.59) OPRM1KCNH2CYP2D6MEN1CYP3A4
SCHEMBL4916549 0.78 OPRD1 (0.59) OPRM1KCNH2OPRD1OPRK1
SCHEMBL11738164 0.77 OPRM1 (0.77) OPRM1DRD4KCNH2CYP2D6GRIN2D
Hydrochloric Acid SCHEMBL11747049 0.75 OPRM1 (0.74) OPRM1DRD4KCNH2CYP2D6GRIN2D
SCHEMBL17001824 0.73 TACR2 (0.39) CYP2D6MEN1CYP3A4CYP2C9TSHR
SCHEMBL8351479 0.73 NISCH (0.44) OPRM1CYP2D6MEN1CYP3A4CYP2C9
SCHEMBL27999872 0.73 F10 (0.35) CYP2D6MEN1CYP3A4CYP2C9TSHR
SCHEMBL5186305 0.72 OPRD1 (0.39) OPRM1OPRD1OPRK1
SCHEMBL17001813 0.71 MEN1 (0.33) CYP2D6MEN1CYP3A4CYP2C9TSHR
SCHEMBL8353505 0.71 NISCH (0.42) OPRM1CYP2D6MEN1CYP3A4CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7148214-B1 Antihistaminic spiro compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-12 US disclosed
US-7087595-B2 Antihistaminic spiro compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2006-08-08 US disclosed
CN-1258533-C Antihistaminic spiro compounds JANSSEN PHARMACEUTICA NV (BE) 2006-06-07 CN disclosed
EP-1144411-B1 ANTIHISTAMINIC SPIRO COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2005-04-27 EP disclosed
US-20050026901-A1 Antiallergens; vision disorders JANSSENS FRANS EDUARD (BE) 2005-02-03 US disclosed
CN-1331694-A Antihistaminic spiro compounds JANSSEN PHARMACEUTICA NV (BE) 2002-01-16 CN disclosed
EP-1144411-A1 ANTIHISTAMINIC SPIRO COMPOUNDS Janssen Pharmaceutica N.V. (BE) 2001-10-17 EP disclosed
WO-2000037470-A1 ANTIHISTAMINIC SPIRO COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2000-06-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050026901-A1 Antiallergens; vision disorders UACA, LTB4R, HLA-B OPRM1 1541/4885DRD4 2086/4885KCNH2 1079/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.